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1-Cyano-6-(trifluoromethanesulfonyloxy)azulene
SpectraBase Compound ID 2KQp8uDMD6m
InChI InChI=1S/C12H6F3NO3S/c13-12(14,15)20(17,18)19-10-4-3-8-1-2-9(7-16)11(8)6-5-10/h1-6H
InChIKey PDJKOGUPEUNWNU-UHFFFAOYSA-N
Mol Weight 301.24 g/mol
Molecular Formula C12H6F3NO3S
Exact Mass 301.002049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PhNTDVQ90T
Name 1-Cyano-6-(trifluoromethanesulfonyloxy)azulene
Alternate Name(s) 1-cyano-6-azulenyl trifluoromethanesulfonate Trifluoromethanesulfonic acid (1-cyano-6-azulenyl) ester (1-cyanoazulen-6-yl) trifluoromethanesulfonate (1-cyanoazulen-6-yl) tris(fluoranyl)methanesulfonate
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Formula C12H6F3NO3S
InChI InChI=1S/C12H6F3NO3S/c13-12(14,15)20(17,18)19-10-4-3-8-1-2-9(7-16)11(8)6-5-10/h1-6H
InChIKey PDJKOGUPEUNWNU-UHFFFAOYSA-N
Molecular Weight 301.239 g/mol
SMILES c1(ccc2ccc(ccc12)OS(=O)(=O)C(F)(F)F)C#N
SPLASH splash10-0006-1924000000-f5921c5cde0f568ab594
Source of Spectrum U1-2000-196-4
Wiley ID 753859